Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00112306

Ligand	Ligand name	Chain	PDB	Tanimoto
689	4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL	A,B	1ZKY	0.83
HOM	7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN	C,D	1CJF	0.77
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.71
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.71
5PP	5-PENTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B36	0.71
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]	A	2Z9C	0.72
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]	A,B	1OOQ	0.72
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]	A,B,C,D,E,F,G,H	2F1O	0.72
G24	[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID	A	1Q4X	0.75
667	6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-3-O-SULFAMATE	A	1TTM	0.74
8PS	5-OCTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B37	0.71
3TN	(2E)-3-[4-HYDROXY-3-(3-METHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID	A	2P1T	0.73
BR3	(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE	A	1PE5	0.75
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE	A,B	1JEP	0.71
DR6	ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)	C,I,T	1YTZ	0.76
MAX	MATAIRESINOL	A	2BGM	0.71
T3O	4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL	A,B	2G44	0.8
YZ9	7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER	A,B,C	1GCZ	0.76
369	5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol	A,B	3DT3	0.7
CIO	CILOMILAST	A,B	1XOM	0.75
CIO	CILOMILAST	A,B	1XLX	0.75
HZ3	dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate	A,B	2QR9	0.71
NAR	NARINGENIN	A,B	2UXU	0.71
NAR	NARINGENIN	A	2BRT	0.71
NAR	NARINGENIN	A	1CGK	0.71
NAR	NARINGENIN	A,B	1EYQ	0.71
I0G	(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL	A,B	2I0G	0.75
I0G	(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL	A,B,C,D	2I0J	0.75
OXN	OXTOXYNOL-10	A	1IKT	0.77
OXN	OXTOXYNOL-10	A,B	2Q32	0.77
OXN	OXTOXYNOL-10	A,B	1UEH	0.77
OXN	OXTOXYNOL-10	A,B	2D4Q	0.77
RWF	R-WARFARIN	A,B	2BXD	0.74
SXX	SINAPINATE	A,B	1WB4	0.7
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID	A	2IMF	0.72
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A,B	1I7I	0.73
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A	1I7G	0.73
EGC	2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL	A,B	1JP3	0.77
EGC	2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL	A	2W22	0.77
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.71
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.76
MUG	4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE	A,B,C,D	1CJP	0.78
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.71
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.78
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL	A,B	2OP3	0.7
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.71
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.71
CA2	(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID	A,B,C,D,E,F,G,H,I,J,K,L	2BT4	0.76
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID	L	1FLR	0.71
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID	A,B	1N0S	0.71
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID	C,L	1T66	0.71
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID	A	1X9Q	0.71
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID	A,D	2NMV	0.71
WST	(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL	A,B	2POG	0.77
STG	ESTRIOL 3-(B-D-GLUCURONIDE)	H	2BFV	0.71
STG	ESTRIOL 3-(B-D-GLUCURONIDE)	H,L	1BFV	0.71
BRZ	6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-7-ONE	C	1K3T	0.78
OHT	4-HYDROXYTAMOXIFEN	A	3ERT	0.71
OHT	4-HYDROXYTAMOXIFEN	A,B	1S9Q	0.71
OHT	4-HYDROXYTAMOXIFEN	A,B	1VJB	0.71
OHT	4-HYDROXYTAMOXIFEN	A,B,C,P,R	2JF9	0.71
OHT	4-HYDROXYTAMOXIFEN	A,B,C,D,E,F	2GPV	0.71
OHT	4-HYDROXYTAMOXIFEN	A	2GPU	0.71
OHT	4-HYDROXYTAMOXIFEN	A	2P7Z	0.71
OHT	4-HYDROXYTAMOXIFEN	A,B	2BJ4	0.71
OHT	4-HYDROXYTAMOXIFEN	A,B	2FSZ	0.71
459	4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL	A,B	2FAI	0.8
M07	(5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-3-(4-METHOXYPHENYL)-1,6-DIOXA-2-AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL	A	2QRG	0.7
YR3	(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol	A	2ZFX	0.77
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.75
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.75
KOM	7,8-dihydroxy-4-phenyl-2H-chromen-2-one	A	2ZVJ	0.73
4MU	7-hydroxy-4-methyl-2H-chromen-2-one	A,B	3ETS	0.77
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.79
FDS	FLUORESCIN	H	4FAB	0.72
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.81
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.81
TAX	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM	A	1FJ5	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE	B,C	1JX1	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE	A,B	1JX0	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE	A,B	1FM7	0.7
3AS	(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol	A,B	2QTU	0.74
DC8	(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL	A,B	2Q70	0.73
DC8	(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL	A,B	2Z4B	0.73
EGT	2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL	A	1JNQ	0.72
COU	COUMARIN	A	3CRB	0.75
COU	COUMARIN	A	2PMJ	0.75
COU	COUMARIN	A	2H90	0.75
COU	COUMARIN	A,B,C,D	1Z10	0.75
COU	COUMARIN	A	2PWB	0.75
458	4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL	A,B	2B1V	0.84
HE7	4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid	A,B,C,D	2Z77	0.71
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.78
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.79
5TN	(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID	A	2P1V	0.76
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IME	0.7
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IMD	0.7
PFI	(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE	A	2HAI	0.81
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one	A,B,C,D,E,F	3D04	0.72
WRS	4-HYDROXY-3-[(1S,3S)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1HA2	0.79
ODE	DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE	A,B	2QH6	0.72
4TN	(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-4-HYDROXYPHENYL]ACRYLIC ACID	A	2P1U	0.76
HXP	3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID	A	1XAN	0.77
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.71
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.71
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.71
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.71
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.71
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.7
JJ3	(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL	A,B	2JJ3	0.76
JJ3	(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL	A,B	2QE4	0.76
AJA	(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-TETRAHYDRO-6H-BENZO[C]CHROMENE-9-CARBOXYLIC ACID	A,B,C,D	2OM9	0.76
E3G	ESTRONE BETA-D-GLUCURONIDE	H,L	1CFV	0.71
H53	2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL	A	2FF5	0.71
H53	2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL	A	2FET	0.71
CTX	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE	A,B,C	1YA4	0.73
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.71
SWF	S-WARFARIN	A,B	1OG5	0.74
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.75
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.74